(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol

C9H14O2 — CID 130622309

IUPAC(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
SMILESOC1C[C@]23CCCC[C@@]2(C1)O3
InChIInChI=1S/C9H14O2/c10-7-5-8-3-1-2-4-9(8,6-7)11-8/h7,10H,1-6H2/t7?,8-,9+
InChIKeyCFMDIYMRUUJMND-CBLAIPOGSA-N
MW154.21 g/mol
LogP1.22
Rot. Bonds

About (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol

(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol (PubChem CID 130622309) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol.

Molecular Properties

Compound Name(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
PubChem CID130622309
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol
SMILESOC1C[C@]23CCCC[C@@]2(C1)O3
InChIInChI=1S/C9H14O2/c10-7-5-8-3-1-2-4-9(8,6-7)11-8/h7,10H,1-6H2/t7?,8-,9+
InChIKeyCFMDIYMRUUJMND-CBLAIPOGSA-N
XLogP1.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

11-oxadispiro[2.0.64.13]undecane
CID 24976266
(1R,3R,6R)-tricyclo[4.4.2.01,6]dodec-11-en-3-ol
CID 98162193
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938
spiro[4.5]decane-2,3-diol
CID 12530979
(1S,3R,6R)-tricyclo[4.4.2.01,6]dodecan-3-ol
CID 98162186
7-hydroxy-7-azadispiro[5.1.58.36]hexadecan-15-ol
CID 59426567
(1R,2R,6R,8S,14S)-13-oxatetracyclo[6.4.1.12,6.01,8]tetradecan-14-ol
CID 6953700
6-azaspiro[3.5]nonan-2-ol
CID 154733338
6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 72789838
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol?
The IUPAC name of (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol (CID 130622309) is (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol.
What is the SMILES notation for (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol?
The canonical SMILES for (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol is OC1C[C@]23CCCC[C@@]2(C1)O3.
What is the InChIKey of (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol?
The InChIKey is CFMDIYMRUUJMND-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H14O2/c10-7-5-8-3-1-2-4-9(8,6-7)11-8/h7,10H,1-6H2/t7?,8-,9+.
What are the key properties of (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol?
(1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol has a molecular weight of 154.21 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-10-oxatricyclo[4.3.1.01,6]decan-8-ol is sourced from PubChem (CID 130622309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).